[
  {
    "molid": "mol7665",
    "smiles": "Cc1nc(N)n[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(N)n[nH]1",
        "std_free_energy": -6.984645843505859,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1nc([NH3+])n[nH]1",
        "std_free_energy": -0.6377542614936829,
        "relative_population": 0.2132064121766357
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1nc(N)[nH+][nH]1",
        "std_free_energy": -1.0044752359390259,
        "relative_population": 0.307655835860098
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1[nH]nc(N)[nH+]1",
        "std_free_energy": -1.447481632232666,
        "relative_population": 0.47913775196326636
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.68,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]